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2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline

CAS 1058062-64-8Formula C13H17BF3NO2MW 287.09PubChem 66587508

This compound is a trifluoromethyl-substituted aniline derivative featuring a pinacol boronate ester group. It is primarily utilized as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, for research purposes.

Loading RDKit molecule structure...
InChIKey: GFSAGCJSHFVPJZ-UHFFFAOYSA-NC13H17BF3NO2 | MW 287.09

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

66587508

SMILES String

CC1(C)OB(c2cc(C(F)(F)F)ccc2N)OC1(C)C

Names & Synonyms

992-308-52-AMINO-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, PINACOL ESTER2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-_4-(trifluoroMethyl)_benzenaMine4-(Trifluoromethyl)aniline-2-boronic acid pinacol ester(2-AMINO-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID PINACOL ESTER
Show all synonyms
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline2-Amino-5-(trifluoromethyl)phenylboronic acid pinacol ester2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-4-trifluoromethyl-phenylamineP11979F364030Z20447507304-(trifluoromethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
External Identifiers
RefChem:455956MFCD16996235SCHEMBL44941SCHEMBL30990845AKOS017343142PB19495AS-51142SY240628DB-103590CS-0054880EN300-7363765

Catalog Overview

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287. 09 g/mol. It incorporates an aniline moiety, a trifluoromethyl group, and a pinacol boronate ester. The pinacol boronate ester group is a key feature, enabling its use in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, to form new carbon-carbon bonds.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287.09 g/mol. It incorporates an aniline moiety, a trifluoromethyl group, and a pinacol boronate ester. The pinacol boronate ester group is a key feature, enabling its use in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, to form new carbon-carbon bonds. The trifluoromethyl group is a strong electron-withdrawing substituent, which can influence the electronic properties and reactivity of the molecule. This compound serves as a valuable intermediate in the synthesis of complex organic molecules, including potential pharmaceuticals and agrochemicals, for research-use applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white to off-white solid

Physical State

solid

Melting Point

80.0 °C

Boiling Point

300.0 °C

Density

1.3 g/cm³

Water Solubility

slightly soluble

Flash Point

160.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and handling instructions before use. This product is for research use only.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29319090GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.